Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.2715   -0.4983    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -0.3601   -0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760    0.5034   -0.5501 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    0.0289   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541   -1.3301    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030   -1.8341    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -0.9953    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2106    0.3696    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780    0.8805   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8062    2.3347   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213   -1.1619    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    0.0394    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688   -0.9354   -1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8031   -1.9691   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145   -2.8941    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840   -1.3418    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363    1.0601    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0645    2.5399   -1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035    2.9127    0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.6510   -0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers